Molecular Properties | |
SMILES: | O=C(NCCc1cccc(Cl)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(Cl)cc1 |
MW: | 493.1 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.44 |
cLogP: | 5.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
RYA-UNI-f4a878f6-1
0.819
ALF-EVA-719172df-6
0.722
ALP-POS-02c6a514-38
0.696
ALP-POS-b0bc6a46-23
0.696
LON-WEI-2e27a2e5-1
0.688
MAT-POS-f2460aef-2
0.688
MAT-POS-f2460aef-1
0.688
ALP-POS-b0bc6a46-22
0.681
ALP-POS-02c6a514-37
0.681
ALP-POS-02c6a514-39
0.674
ALP-POS-b0bc6a46-24
0.674
MIC-UNK-8686cf1d-2
0.653
PET-UNK-48ab5cd7-5
0.653
PET-UNK-48ab5cd7-6
0.640
ALP-POS-02c6a514-5
0.634
ALP-POS-b0bc6a46-5
0.634
MIC-UNK-8686cf1d-9
0.612
ALP-POS-b0bc6a46-6
0.608
ALP-POS-02c6a514-7
0.608
ALP-POS-1245c3fa-1
0.606
MIC-UNK-8686cf1d-6
0.594
ALP-POS-b0bc6a46-11
0.592
ALP-POS-02c6a514-18
0.592
PAU-WEI-ca14c437-1
0.588
ALP-POS-02c6a514-28
0.587
ALP-POS-b0bc6a46-17
0.587
PAU-WEI-d9f77348-1
0.577
ALP-POS-02c6a514-54
0.574
ALP-POS-02c6a514-29
0.565
ALP-POS-b0bc6a46-18
0.565
PET-UNK-48ab5cd7-4
0.563
KHR-WEI-75c61062-1
0.558
ALP-POS-02c6a514-27
0.557
ALP-POS-b0bc6a46-16
0.557
DAR-DIA-48c639f7-2
0.551
MAT-POS-f2460aef-4
0.548
ALP-POS-02c6a514-20
0.548
ALP-POS-b0bc6a46-12
0.548
KHR-WEI-75c61062-2
0.547
ALP-POS-02c6a514-41
0.547
ALP-POS-b0bc6a46-25
0.547
ALP-POS-02c6a514-57
0.546
ALP-POS-305f6ec3-49
0.544
ALP-POS-02c6a514-14
0.543
ALP-POS-b0bc6a46-8
0.543
ALP-POS-02c6a514-53
0.542
ALP-POS-95f71980-21
0.539
ALP-POS-c59291d4-6
0.532
ALP-POS-02c6a514-12
0.529
ALP-POS-1245c3fa-2
0.528
ALP-POS-95f71980-18
0.528
MIC-UNK-96659df2-7
0.527
ALP-POS-02c6a514-2
0.525
ALP-POS-b0bc6a46-2
0.525
ALP-POS-b0bc6a46-13
0.522
ALP-POS-02c6a514-21
0.522
ALP-POS-02c6a514-15
0.519
ALP-POS-b0bc6a46-9
0.519
ALP-POS-95f71980-4
0.514
ALP-POS-02c6a514-55
0.514
ALP-POS-ced8ea4d-9
0.514
ALP-POS-95f71980-6
0.514
BRU-THA-92256091-15
0.514
MIC-UNK-8686cf1d-3
0.514
MIC-UNK-8686cf1d-1
0.513
MIC-UNK-96659df2-6
0.513
ALP-POS-02c6a514-56
0.510
LON-WEI-2e27a2e5-2
0.510
ALP-POS-e980f4ea-9
0.509
ALP-POS-305f6ec3-4
0.509
MAT-POS-02ae579f-1
0.505
ALP-POS-02c6a514-11
0.505
ALP-POS-02c6a514-3
0.504
ALP-POS-b0bc6a46-3
0.504
MIC-UNK-96659df2-8
0.504
ALP-POS-02c6a514-43
0.504
ALP-POS-b0bc6a46-27
0.504
ALP-POS-02c6a514-23
0.504
ALP-POS-b0bc6a46-14
0.504
BRU-THA-92256091-24
0.500
ALP-POS-b0bc6a46-21
0.500
ALP-POS-02c6a514-36
0.500
ALP-POS-95f71980-23
0.500
ALP-POS-95f71980-36
0.495
BRU-THA-92256091-18
0.495
ALP-POS-305f6ec3-3
0.495
BRU-THA-92256091-22
0.495
PET-UNK-48ab5cd7-3
0.495
ALP-POS-305f6ec3-44
0.495
ALP-POS-ced8ea4d-27
0.495
ALP-POS-e980f4ea-27
0.495
ALP-POS-02c6a514-26
0.495
MIC-UNK-96659df2-5
0.492
MIC-UNK-8686cf1d-4
0.491
BRU-THA-92256091-23
0.491
ALP-POS-ced8ea4d-67
0.491
ALP-POS-305f6ec3-55
0.491
MAT-POS-f2460aef-3
0.491
PAU-WEI-df8f33bc-2
0.491
ALP-POS-02c6a514-50
0.491